1-methylsulfonyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-1-mesyl-isonipecotamide Formula: C20H31N4O4S+ MolecularWeight: 423.54954

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H30N4O4S/c1-29(27,28)24-13-7-16(8-14-24)20(26)22-18-9-11-23(12-10-18)15-19(25)21-17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3,(H,21,25)(H,22,26)/p+1